8005-9585 Screening compound: 4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

8005-9585 Screening compound: 4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole
8005-9585 Screening compound: 4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9585
4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8005-9585

Molecular Formula

C24H16ClFN4O2S (C24 H16 ClFN4 O2 S)

Compound Name

4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazole

IUPAC name

4-(4-chlorophenyl)-2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazole

SMILES

[O-][N+](c1cccc(C(CC2c(cc3)ccc3F)=NN2c2nc(-c(cc3)ccc3Cl)cs2)c1)=O

InChI

InChI=1S/C24H16ClFN4O2S/c25-18-8-4-15(5-9-18)22-14-33-24(27-22)29-23(16-6-10-19(26)11-7-16)13-21(28-29)17-2-1-3-20(12-17)30(31)32/h1-12,14,23H,13H2/t23-/m0/s1

InChI Key

MTZBYMXMMZPFTE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00823042

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

478.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.838

Distribution Coefficient, logD

7.838

Water Solubility, LogSw

-7.01

Polar Surface Area

56.849

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

8005-9585 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8005-9585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9585?
Check Price and Availability of 8005-9585, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-9585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9585
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8005-9585 available by request